Asterinin E
TL;DR: Asterinin E (CAS 172548-92-4) is a chemical compound with molecular formula C26H35N5O9 and molecular weight 561.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-2-[[3-[[3-hydroxy-2-[[3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoate
Also Known As: Asterinin E, His-Cys-Lys-Phe-Trp-Trp, delta(2,4)-Pro-allo-thr-ser-betaphe-allo-throme, methyl 3-hydroxy-2-[[3-[[3-hydroxy-2-[[3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoate, delta(2,4)-Pro-L-allo-thr-L-ser-L-betahe-L-allo-throme
| Molecular Formula | C26H35N5O9 |
|---|---|
| Molecular Weight | 561.24 g/mol |
| LogP | -1.7428 |
| Topological Polar Surface Area | 219.18 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 561.24347 |
| Heavy Atoms | 40 |
| Complexity | 1138.6985 |
Chemical Identifiers
| CAS Number | 172548-92-4 |
|---|---|
| SMILES | CC(C(C(=O)NC(CO)C(=O)NC(CC(=O)NC(C(C)O)C(=O)OC)C1=CC=CC=C1)NC(=O)C2=CC=CN2)O |
Product Overview
Asterinin E (CAS 172548-92-4), with molecular formula C26H35N5O9 and molecular weight 561.24 g/mol. IUPAC: methyl 3-hydroxy-2-[[3-[[3-hydroxy-2-[[3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoate.
Chemical Property Profile of Asterinin E
Property Insights of Asterinin E
The XLogP value of -1.7428 indicates that Asterinin E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.18 Ų indicates high polarity, suggesting Asterinin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Asterinin E has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asterinin E?
The CAS number of Asterinin E is 172548-92-4.
What is the molecular formula of Asterinin E?
The molecular formula of Asterinin E is C26H35N5O9.
What is the molecular weight of Asterinin E?
The molecular weight of Asterinin E is 561.24 g/mol.
Where can I buy Asterinin E?
You can request a quote for Asterinin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asterinin E?
Yes, KEHONG BIO provides custom synthesis services for Asterinin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.